HRID287929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID7840

1-Bromopropane

C3H7Br

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

反应SMILES：COc1cc2c(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)ccnc2cc1OCC1CCNCC1

HCID69055371

未命名化合物

PRODUCTS

产物

反应SMILES：CCCN1CCC(COc2cc3nccc(Oc4ccc(Nc5ccc(C(C)(C)C)cc5)cc4)c3cc2OC)CC1

HCID57567608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0d43c77d74134c0f9b2cfa28585426fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[Br:45][CH2:46][CH2:47][CH3:48].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][n:22][c:23]4[cH:24][c:25]([O:31][CH2:32][CH:33]5[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]5)[c:26]([O:29][CH3:30])[cH:27][c:28]34)[cH:16][cH:17]2)[cH:9][cH:10]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[K+:43].[K+:44].[OH2:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][n:22][c:23]4[cH:24][c:25]([O:31][CH2:32][CH:33]5[CH2:34][CH2:35][N:36]([CH2:46][CH2:47][CH3:48])[CH2:37][CH2:38]5)[c:26]([O:29][CH3:30])[cH:27][c:28]34)[cH:16][cH:17]2)[cH:9][cH:10]1